UCSF

ZINC33559370

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.15 10.42 -8.56 0 2 0 18 270.763 3
Lo Low (pH 4.5-6) 5.15 10.83 -25.86 1 2 1 19 271.771 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )